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"id": "mp-1517892",
"created_at": "2022-09-04T14:41:31.168952Z",
"structure_string": "Na1 Zr1 Cu1 W1 O6\n1.0\n0.000000 -4.019572 -4.019572\n4.019572 0.000000 -4.019572\n4.019572 -4.019572 0.000000\nNa Zr Cu W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Zr\n0.750000 0.750000 0.750000 Cu\n0.500000 0.500000 0.500000 W\n0.741422 0.258578 0.258578 O\n0.258578 0.741422 0.741422 O\n0.741422 0.258578 0.741422 O\n0.258578 0.741422 0.258578 O\n0.741422 0.741422 0.258578 O\n0.258578 0.258578 0.741422 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Zr",
"Cu",
"W",
"O"
],
"chemical_system": "Cu-Na-O-W-Zr",
"density": 5.850083231833002,
"density_atomic": 0.0769893348264281,
"volume": 129.88812051104128,
"volume_molar": 7.822045447693337,
"formula_full": "Na1 Zr1 Cu1 W1 O6",
"formula_reduced": "NaZrCuWO6",
"formula_anonymous": "ABCDE6",
"energy": -79.26052195,
"energy_per_atom": -7.926052195,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.70052195,
"band_gap": 0.7944999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.231000Z",
"spacegroup": 216
}
]
}